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Hydrochloric Acid → Benzyl 4-(dimethylamino)-3-[8-[(4-phenylphenyl)methoxy]octanoylamino]butanoate

HRID 209830
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인쇄 미리보기

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HRID 209830 반응식
[Br:11][CH2:12][c:13]1[cH:14][cH:15][c:16](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:23][cH:24]1.[CH2:1]([OH:2])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][OH:10].[CH2:74]([c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)[O:81][C:82]([CH2:83][CH:84]([CH2:85][N:86]([CH3:87])[CH3:88])[NH2:89])=[O:90].[ClH:72].[ClH:73].[c:25]1(-[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:26][cH:27][c:28]([CH2:31][O:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][OH:41])[cH:29][cH:30]1.[c:48]1(-[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][c:57]([CH2:58][O:59][CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][C:67]([OH:68])=[O:69])[cH:70][cH:71]1>>[c:25]1(-[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:26][cH:27][c:28]([CH2:31][O:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][C:40](=[O:41])[NH:89][CH:84]([CH2:83][C:82]([O:81][CH2:74][c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)=[O:90])[CH2:85][N:86]([CH3:87])[CH3:88])[cH:29][cH:30]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric Acid2회HCID 694201,8-OctanediolHCID 2577161,1'-Biphenyl, 4-(bromomethyl)-HCID 66874843Benzyl 3-amino-4-(dimethylamino)butanoateHCID 668754788-(Biphenyl-4-ylmethoxy)-octanoic acidHCID 668755858-(Biphenyl-4-ylmethoxy)-octan-1-ol

생성물 1

HCID 66874638
Benzyl 4-(dimethylamino)-3-[8-[(4-phenylphenyl)methoxy]octanoylamino]butanoate

출처 및 근거

ORD 기록
ord-6b3136c0987940ba9f6a1bd6a90fc019
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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